844639-07-2

Basic information

• Product Name: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate
• Synonyms: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate;Quetiapine Impurity A HCl (Quetiapine O-Acetyl Impurity HCl);Quetiapine EP Impurity A;Quetiapine Impurity 22;Quetiapine EP Impurity A HCl;Quetiapine EP Impurity A DiHCl (Quetiapine O-Acetyl Impurity DiHCl)
• CAS NO: 844639-07-2
• Molecular Formula: C₂₃H₂₇N₃O₃S
• Molecular Weight: 425.54378
• Mol File: 844639-07-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 569.1±60.0 °C(Predicted)
• Appearance: /
• Density: 1.25±0.1 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly))
• PKA: 6.76±0.10(Predicted)
• CAS DataBase Reference: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate(844639-07-2)
• EPA Substance Registry System: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate(844639-07-2)

Safety Data

• Hazardous Substances Data: 844639-07-2(Hazardous Substances Data)

Usage

Description

2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate, also known as Quetiapine Impurity B or Quetiapine USP-B, is a chemical compound derived from Quetiapine Hemifumarate (Q510000), an antipsychotic medication. It is characterized by its complex molecular structure, which includes a dibenzo[b,f][1,4]thiazepin-11-yl group attached to a piperazin-1-yl ethoxyethyl moiety, and an acetate group.

Uses

Used in Pharmaceutical Industry:
2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate is used as an impurity in the production of Quetiapine Hemifumarate, an antipsychotic medication. It is important to monitor and control the levels of this impurity to ensure the safety, efficacy, and quality of the final drug product. The presence of impurities can affect the pharmacological activity, stability, and potential side effects of the medication, making their management crucial in the pharmaceutical industry.

Upstream product

• 844639-08-3 11-{4-[2-(2-benzyloxy-ethoxy)ethyl]-piperazin-1-yl}-dibenzo[b,f][1,4]thiazepine 
• 64-19-7 acetic acid 

Downstream Products

• 111974-69-7 Quetiapine 

Relevant articles and documents

Process for the preparation of a thiazepine derivative

The present invention relates to a process for the preparation of biologically active thiazepine derivative. The present invention more particularly, relates to an improved process for the preparation of dibenzo[b,f][1,4]thiazepine derivative of formula (I).

PROCEDURE FOR PREPARING A PHARMACEUTICALLY ACTIVE COMPOUND

The invention relates to a procedure for preparing quetiapine by reaction between a compound of formula (II) and a compound of formula (III), in which X means a leaving group and P a protective group of alcohols resistant to alkaline conditions, in the presence of a base, followed by a step of deprotection and, optionally, obtaining a pharmaceutically acceptable salt thereof. Said procedure permits the obtaining of quetiapine with a high degree of purity under soft temperature conditions, with short reaction times and avoiding the use of toxic solvents.